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ScientificNameLabel
sabinol
PHCD compound ID : 4527
Chemical Names :
sabinol
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (1S,3R,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexan-3-ol , (1S,3R,5S)-4-methylene-1-propan-2-yl-3-bicyclo[3.1.0]hexanol , (1S,3R,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol , (1S,3R,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexan-3-ol
Smiles: CC([C@]12C[C@@H]2C(=C)[C@@H](C1)O)C
InChi : InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8-,9-,10+/m1/s1
InChi Key : InChIKey=MDFQXBNVOAKNAY-BBBLOLIVSA-N
PubChem ID : 94147
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.643990
Hydrogen bond donor count : 1 Electric dipole moment : 2.299
XLogP : 2.192 VDW volume : 162.957156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.639000
Herb list :
Refrences & Litretures:
  
674.      Journal:'Rev Bras Farmacogn'      Year:'2014'      Volume:'24'      Page:'25'      DOI:'10.1590/0102-695X2014241434'      Title:'Analysis of essential oils of Origanum vulgare from six production areas of China and Pakistan'
680.      Journal:'BIOLOGIJA'      Year:'2005'      Volume:'4'      Page:'53'      DOI:''      Title:'Chemical composition of essential oil and antimicrobial activity of Origanum vulgare'
800.      Journal:'International Journal of Plant Science and Ecology'      Year:'2015'      Volume:'1'      Page:'98'      DOI:''      Title:'Essential oils of Anethum graveolens L: Chemical composition and their antimicrobial activities at vegetative, flowering and fruiting stages of development'
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